ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate

C10H13ClN2O2 — CID 58009151

IUPACethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate
SMILESCCNc1cc(Cl)ncc1C(=O)OCC
InChIInChI=1S/C10H13ClN2O2/c1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyDPLDFGSSJKFWNU-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.34
Rot. Bonds4

About ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate

ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate (PubChem CID 58009151) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate
PubChem CID58009151
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nameethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate
SMILESCCNc1cc(Cl)ncc1C(=O)OCC
InChIInChI=1S/C10H13ClN2O2/c1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyDPLDFGSSJKFWNU-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate (CID 58009151) is ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate is CCNc1cc(Cl)ncc1C(=O)OCC.
What is the InChIKey of ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate?
The InChIKey is DPLDFGSSJKFWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate?
ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate has a molecular weight of 228.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 58009151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).